3,9-diazabicyclo[3.3.2]decane

C8H16N2 — CID 55299478

IUPAC3,9-diazabicyclo[3.3.2]decane
SMILESC1CC2CNCC(C1)NC2
InChIInChI=1S/C8H16N2/c1-2-7-4-9-6-8(3-1)10-5-7/h7-10H,1-6H2
InChIKeyKLBQHINSMRIWCO-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.35
Rot. Bonds

About 3,9-diazabicyclo[3.3.2]decane

3,9-diazabicyclo[3.3.2]decane (PubChem CID 55299478) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3,9-diazabicyclo[3.3.2]decane
PubChem CID55299478
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,9-diazabicyclo[3.3.2]decane
SMILESC1CC2CNCC(C1)NC2
InChIInChI=1S/C8H16N2/c1-2-7-4-9-6-8(3-1)10-5-7/h7-10H,1-6H2
InChIKeyKLBQHINSMRIWCO-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 3,9-diazabicyclo[3.3.2]decane (CID 55299478) is 3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 3,9-diazabicyclo[3.3.2]decane is C1CC2CNCC(C1)NC2.
What is the InChIKey of 3,9-diazabicyclo[3.3.2]decane?
The InChIKey is KLBQHINSMRIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-7-4-9-6-8(3-1)10-5-7/h7-10H,1-6H2.
What are the key properties of 3,9-diazabicyclo[3.3.2]decane?
3,9-diazabicyclo[3.3.2]decane has a molecular weight of 140.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 55299478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).